[2-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(2S)-2-methyl-1-methylsulfonyl-indolin-5-yl]-2-oxo-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-keto-2-[(2S)-1-mesyl-2-methyl-indolin-5-yl]ethyl] ester Formula: C20H19NO7S MolecularWeight: 417.43236

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)COC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)COC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19NO7S/c1-12-7-15-8-13(3-5-16(15)21(12)29(2,24)25)17(22)10-26-20(23)14-4-6-18-19(9-14)28-11-27-18/h3-6,8-9,12H,7,10-11H2,1-2H3/t12-/m0/s1